325702-76-9
Product Name:
4-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-SULFONYL)-BENZOIC ACID
Formula:
C16H15NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.4 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.07217913 g/mol |
| Monoisotopic Mass | 317.07217913 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 505 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |